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License: MIT License
simple visualization of molecules in python
License: MIT License
I recently started working on the mogli
source code to implement a simple molecular viewer capable of showing properties associated with the atoms in a molecule. I managed to alter the coloring of each atom according to the desired property but I would also like to render some labels on top of the atoms with the values of the property itself or simply with the label of the atom. Unfortunately, I am not very familiar with the GR framework and I did not manage to put any kind of text in the window.
I would like to know if there is a way to print a simple annotation inside or over the gr3
scene on a specified coordinate. Even if the text is in a 2D overlay I can try to compute the projection of the 3D coordinates of the atom and set the coordinates of the label accordingly.
Thanks in advance for any help.
I need to get an orthogonal projection of a structure but the mogli gives a perspective view. Is there any easy solution to get orthogonal projection?
Hi,
i am a newbie in programming pyton. Wenn i use mogli without gr framework (mogli.show) my programm works fine. But using gr, the grafic will not displayed in spyder. Starting from console the grafik window will be open and closed in one second. Can you help me?
I use anaconda on a modern windows 11 pc with nvidia gtx 3080ti grafic card.
And a second one (FYI), when i use mogli.show and close the molecule window in spyder there are some errors like
File ~\anaconda3\lib\site-packages\spyder_kernels\py3compat.py:356 in compat_exec
exec(code, globals, locals)
File c:\users\wotan\onedrive\dokumente\2023\7tagepython\orca-read(mogli).py:70
mogli.show(molecules[0], bonds_param=1.25)
File ~\anaconda3\lib\site-packages\mogli.py:424 in show
gr3.terminate()
File ~\anaconda3\lib\site-packages\gr3_init_.py:313 in terminate
_gr3.gr3_terminate()
File ~\anaconda3\lib\site-packages\gr3_init_.py:259 in _error_check
raise exception
GR3_Exception: b'gr3.c' (l. 565): GR3_ERROR_OPENGL_ERR
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